7DKX
Crystal structure of TxGH116 E441G nucleophile mutant from Thermoanaerobacterium xylanolyticum with cellobiose
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | NSRRC BEAMLINE BL13B1 |
Synchrotron site | NSRRC |
Beamline | BL13B1 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2018-08-11 |
Detector | ADSC QUANTUM 315r |
Wavelength(s) | 1.0 |
Spacegroup name | P 21 21 2 |
Unit cell lengths | 177.556, 54.424, 83.137 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 88.780 - 1.700 |
R-factor | 0.1543 |
Rwork | 0.153 |
R-free | 0.18000 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 5bvu |
RMSD bond length | 0.008 |
RMSD bond angle | 1.355 |
Data reduction software | HKL-2000 |
Data scaling software | HKL-2000 |
Phasing software | MOLREP |
Refinement software | REFMAC (5.8.0135) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 89.000 | 1.760 |
High resolution limit [Å] | 1.700 | 1.700 |
Number of reflections | 89598 | 8544 |
<I/σ(I)> | 28.3 | |
Completeness [%] | 99.6 | |
Redundancy | 5.5 | |
CC(1/2) | 0.999 | 0.911 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 5.5 | 288 | 0.24 M AMMONIUM SULFATE, 20% PEG 3350, 0.1 M MES, PH 5.5 |